methyl 4-[2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[3-(4-chlorophenyl)sulfonylpropanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[3-(4-chlorophenyl)sulfonyl-1-oxopropyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(4-chlorophenyl)sulfonylpropanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[3-(4-chlorophenyl)sulfonylpropanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C20H17ClN2O5S2 MolecularWeight: 464.94238

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H17ClN2O5S2/c1-28-19(25)14-4-2-13(3-5-14)17-12-29-20(22-17)23-18(24)10-11-30(26,27)16-8-6-15(21)7-9-16/h2-9,12H,10-11H2,1H3,(H,22,23,24)